REMARK  Name = BDB051207
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.794  -1.870   0.731  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1       -2.611  -2.781   1.432  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -1.962  -3.521   2.428  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -2.690  -4.454   3.156  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -4.052  -4.667   2.932  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -4.712  -3.928   1.961  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -0.669  -3.371   2.715  0.00  0.00    -0.221 NA
ATOM      8  C   LIG    1        0.017  -2.450   2.027  0.00  0.00    +0.195 A 
ATOM      9  C   LIG    1       -4.001  -2.990   1.216  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.499  -1.681   1.054  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.372  -1.092  -0.314  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -3.035  -1.637  -0.855  0.00  0.00    +0.155 HD
BRANCH  11  18
ATOM     13  C   LIG    1       -1.212   2.755  -3.262  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -1.261   1.711  -2.211  0.00  0.00    +0.062 A 
ATOM     15  N   LIG    1       -0.349   1.700  -1.231  0.00  0.00    -0.178 NA
ATOM     16  N   LIG    1       -0.715   0.643  -0.471  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1       -0.166   0.392   0.344  0.00  0.00    +0.190 HD
ATOM     18  C   LIG    1       -1.820  -0.019  -0.934  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1       -2.195   0.656  -2.072  0.00  0.00    +0.068 A 
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   8  20
ATOM     20  S   LIG    1        1.743  -2.287   2.466  0.00  0.00    -0.050 S 
BRANCH  20  21
ATOM     21  C   LIG    1        2.214  -0.841   1.545  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        2.643  -0.964   0.221  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1        2.849   0.179  -0.553  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        2.666   1.447  -0.001  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        2.272   1.571   1.332  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        2.067   0.429   2.111  0.00  0.00    +0.017 A 
BRANCH  24  27
ATOM     27  N   LIG    1        2.547   2.527  -0.920  0.00  0.00    -0.221 N 
ATOM     28  H   LIG    1        1.578   2.641  -1.260  0.00  0.00    +0.173 HD
BRANCH  27  29
ATOM     29  S   LIG    1        3.310   3.996  -0.651  0.00  0.00    +0.040 S 
ATOM     30  O   LIG    1        2.528   4.996  -1.347  0.00  0.00    -0.155 OA
ATOM     31  O   LIG    1        3.662   4.157   0.742  0.00  0.00    -0.155 OA
ATOM     32  C   LIG    1        4.805   3.760  -1.583  0.00  0.00    +0.218 C 
ENDBRANCH  27  29
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 6